2-[Cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enyl hydrogen sulfate
| Internal ID | 2c7ecf17-f4d7-4493-adf1-39eae2128018 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Cyanogenic glycosides |
| IUPAC Name | 2-[cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enyl hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H17NO10S/c1-5(4-20-23(17,18)19)6(2-12)21-11-10(16)9(15)8(14)7(3-13)22-11/h6-11,13-16H,1,3-4H2,(H,17,18,19) |
| InChI Key | XRVSCIZCEJNBIO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H17NO10S |
| Molecular Weight | 355.32 g/mol |
| Exact Mass | 355.05731691 g/mol |
| Topological Polar Surface Area (TPSA) | 195.00 Ų |
| XlogP | -2.40 |
| There are no found synonyms. |
![2D Structure of 2-[Cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enyl hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/2-cyano-345-trihydroxy-6-hydroxymethyloxan-2-yloxymethylprop-2-enyl-hydrogen-sulfate.jpg "2D Structure of 2-[Cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]prop-2-enyl hydrogen sulfate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 95.13% | 86.92% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.23% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.74% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.01% | 95.93% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.45% | 95.83% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.05% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.01% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.38% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.35% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.48% | 96.61% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.95% | 82.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.47% | 94.80% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.04% | 96.43% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Cardiospermum grandiflorum |
| PubChem | 162999160 |
| LOTUS | LTS0178661 |
| wikiData | Q105340836 |